On Target COMT_HUMAN 0.3469388/CHEMBL3798286
For the given ligand Etoricoxib, we have found in our database that, being scored 0.3469388, the most similar ligand is CHEMBL3798286. Check out the elaboration below.
| Etoricoxib (Given Ligand) | CHEMBL3798286 (Similar Ligand) |
|---|---|
| Cc3ccc(c1ncc(Cl)cc1c2ccc(S(C)(=O)=O)cc2)cn3 | OC1=CN(C=CC1=O)c2ccnc(c2)c3ccccc3 |
|
|
|
|
|
|
| 0002a002 00811201 00024100 10910210 00041020 04000008 01000001 00480004 00000100 10000850 0000a084 60008810 06004808 00210000 a0220000 820c0004 04020000 02003004 04200008 10402006 c0000000 08008100 31800000 08400009 00040803 80080200 08040240 00000060 0040c004 00020400 00000820 01030020 | 00002002 00000208 60004100 10010600 00041028 04000004 04008000 00281004 12100000 900008c0 00000004 40018000 00008804 00400000 00020000 0204000c 00020000 02006004 04200000 00460000 40000000 18008010 30800000 01500000 02042400 80080000 08008240 00040040 04004004 00060408 00000800 00200040 |